论文标题
关于硝基膦烯，硝基含中和硝化氧化物的稳定性和存在
On the stability and existence of nitro-graphene, nitro-graphane, and nitro-graphene oxide
论文作者
论文摘要
在这里，考虑了存在具有不受干扰的石墨烯主链的硝基磷酸衍生物的可能性。基于第一原理的计算，虽然没有$ _2 $无法与裸石石墨烯形成共价键，但在某些石墨烷，荧光素和氧化石墨烯的结构中可能会成为可能。本文介绍了对周围对C-NO $ _2 $债券强度的影响的分析。作者认为，这些材料的潜在前景以及有关可能合成途径的讨论可能有助于进一步研究基于石墨烯的材料。
Here, the possibility of the existence of nitro-graphene derivatives with undisturbed graphene backbone is considered. Based on the first-principles calculation, it is shown that while NO$_2$ is unable to form a covalent bond with bare graphene, it becomes possible in some structures of graphane, fluorographene, and graphene oxide. This paper presents, among others, an analysis of the surrounding influence on the C-NO$_2$ bond strength. The author believes, that potential prospects of these materials and discussion about possible synthesizing routes may help further research on graphene-based materials.
